2,5-bis(oxidanyl)-3-undecyl-cyclohexa-2,5-diene-1,4-dione; 2-methylpropan-1-amine

Systemtic Name: 2,5-bis(oxidanyl)-3-undecyl-cyclohexa-2,5-diene-1,4-dione; 2-methylpropan-1-amine Openeye Name: 2,5-dihydroxy-3-undecyl-1,4-benzoquinone; 2-methylpropan-1-amine CAS Name: 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione; 2-methyl-1-propanamine IUPAC Name: 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione; 2-methylpropan-1-amine Traditional Name: 2,5-dihydroxy-3-undecyl-p-benzoquinone; isobutylamine Formula: C25H48N2O4 MolecularWeight: 440.65962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O.CC(C)CN.CC(C)CN

Isomeric SMILES

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O.CC(C)CN.CC(C)CN

InChI

InChI=1S/C17H26O4.2C4H11N/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21;2*1-4(2)3-5/h12,18,21H,2-11H2,1H3;2*4H,3,5H2,1-2H3